(phenylmethyl) 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(5-isoquinolylsulfonylamino)-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-isoquinolinylsulfonylamino)-3-(4-methoxyphenyl)propyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-isoquinolylsulfonylamino)-3-(4-methoxyphenyl)propyl]piperazine-1-carboxylic acid benzyl ester Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CN2CCN(CC2)C(=O)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(CN2CCN(CC2)C(=O)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H34N4O5S/c1-39-28-12-10-24(11-13-28)20-27(33-41(37,38)30-9-5-8-26-21-32-15-14-29(26)30)22-34-16-18-35(19-17-34)31(36)40-23-25-6-3-2-4-7-25/h2-15,21,27,33H,16-20,22-23H2,1H3